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Computational insight into the antagonistic activity of some natural ligands against protease-activated receptors in psoriasis (Record no. 131244)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01849nam a2200145 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250228b |||||||| |||| 00| 0 eng d |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Anurag Agrawal |
| 245 ## - TITLE STATEMENT | |
| Title | Computational insight into the antagonistic activity of some natural ligands against protease-activated receptors in psoriasis |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | P.413-425 |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. biblio.abstract | Psoriasis is a unique skin dermatoses characterised by autoimmune and inflammatory features in humans. Along with these features, pain and itching are the cardinal signs of psoriasis. Lately, many researchers investigated the implications ofprotease-activated receptors, especially PAR-1 and PAR-2, in skin diseases such as psoriasis. In the current study, molecular docking was carried out with AutoDock tools v 1.5.6 to find out binding interactions of some natural ligands, with PAR-1 and PAR-2, which have been preclinically evaluated as antipsoriatic agents, but their mechanism of action has not been established. For this purpose, three-dimensional structures of plant ligands were prepared using the ChemSketch 2015 free version and interactions were observed via Biovia Discovery studio version 4.5. This study demonstrated that Capsaicin and Dimethyl Fumarate, in terms of binding interactions, could behave as protease-activated receptor-1 and protease-activated receptor-2 selective antagonists, respectively. Moreover, molecular dynamic simulation was also performed employing the Desmond module (Schrodinger, LLC, Cambridge, USA) to examine the stability of the ligand-target complex at 100 ns. |
| 654 ## - SUBJECT ADDED ENTRY--FACETED TOPICAL TERMS | |
| Subject | <a href="Autoimmune">Autoimmune</a> |
| -- | <a href="Molecular docking">Molecular docking</a> |
| -- | <a href="Molecular dynamics">Molecular dynamics</a> |
| -- | <a href="Protease-activated receptor">Protease-activated receptor</a> |
| -- | <a href="Psoriasis ">Psoriasis </a> |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Vipin Bhati |
| 773 0# - HOST ITEM ENTRY | |
| Host Biblionumber | 125285 |
| Host Itemnumber | 110651 |
| Place, publisher, and date of publication | New Delhi NISCAIR |
| Title | Indian Journal of Natural Products and Resources |
| International Standard Serial Number | 0976-0504 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Journal Article |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Location (home branch) | Sublocation or collection (holding branch) | Date acquired | Koha issues (times borrowed) | Piece designation (barcode) | Koha date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dewey Decimal Classification | SNDT Juhu | SNDT Juhu | 28/02/2025 | JP363.7 | 28/02/2025 | 28/02/2025 | Journal Article |